SCHEMBL6921893

SCHEMBL6921893

CCCCC(O)(Cn1c2c(c3cc(Cl)ccc31)C1CCC(C2)N1C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.37
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KCNH2 Q12809 2/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
RORB Q92753 1/20 0.35
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
CNR2 P34972 2/20 0.34
OXER1 Q8TDS5 1/20 0.33
GABRA1 P14867 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6919740 0.81 RORA (0.37) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL15086098 0.80 HTR6 (0.37) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL13394741 0.80 HTR6 (0.43) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL1082513 0.78 BAZ2B (0.48) HTR6
SCHEMBL1081265 0.77 BAZ2B (0.50) HTR6
SCHEMBL13394683 0.76 CA12 (0.42) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6921947 0.76 HTR6 (0.37) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL13394681 0.76 HTR6 (0.43) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6921361 0.76 HTR6 (0.43) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6920761 0.76 HTR6 (0.36) HTR6CYP3A4CYP2C9CYP2C19KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PSEN1 383/4885PSEN2 304/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PSEN1 383/4885PSEN2 304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.